Officially official! The group's first-ever publication is online 🥳 #ChemSky #MatSky doi.org/10.1063/5.03...

Robust learning from literature data: Model generalizability and uncertainty for predicting conjugated polymer solution conformation

Predicting solution conformation and aggregation of conjugated polymers remains a bottleneck for translating solution processing into controlled film microstruc

doi.org

In my @nature.com story, I explain how chemists at Yale have created a chemistry AI tool by fine-turning the LLAMA LLM to create 2,498 expert models. Their system can judge which of the different experts to refer a query about reaction conditions to. Impressive! 🧪 www.nature.com/articles/d41...

This AI has chemical expertise — and helps synthesize 35 new compounds

An open-source program helps researchers bypass a major bottleneck in the process chemical synthesis.

nature.com

🚨🚨 The group's first preprint is up on @chemrxiv.org! 🥳🥳 Robust Learning from Literature Data: Model Generalizability and Uncertainty for Predicting Conjugated Polymer Solution Conformation 📝 doi.org/10.26434/chemrxiv-2025-mdtsm #chemsky #matsky

Do you know of any papers that have datasets of organic materials (polymers, molecules) with experimental parameters–not material properties, but stuff like concentration, temperature, whatever? #chemsky #matsky

@uw-cei.bsky.social @imod-stc.bsky.social @coschoolofmines.bsky.social @utahchemistry.bsky.social @whitmancollege.bsky.social @ddomlab.org

Another instrument is up and running! We set up our Gyros PurePep Chorus last Friday. Keep an eye out for exciting developments on this front 👀 #chemsky #matsky

We just completed the installation of Big Purchase #1 ™️: a quadruple (!) detector SEC from Tosoh. This bad boy has RI, UV, MALS, & viscometry 💪 We're really excited to start getting some absolute molecular weights!

Our exploration of #ML to predict #OPV device performance from molecular structure of the materials *and* processing data is now officially published in J Mater Chem A as part of their 2024 Emerging Investigators series! doi.org/10.1039/D4TA...

Beyond molecular structure: critically assessing machine learning for designing organic photovoltaic materials and devices

Our study explores the current state of machine learning (ML) as applied to predicting and designing organic photovoltaic (OPV) devices. We outline key considerations for selecting the method of encod...

doi.org

First semester at NC State MSE is in the books! Not only is NC State Engineering building the future of #SelfDrivingLabs, but there's an awesome self-driving library #MatSky #Chemsky